UCSF

ZINC52882798

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.86 1.67 -7.49 3 4 0 67 248.326 3
Mid Mid (pH 6-8) 0.86 1.81 -45.86 4 4 1 68 249.334 3

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Analogs ( Draw Identity 99% 90% 80% 70% )